Phase selection rules for complex multi-component alloys with equiatomic or close-to-equiatomic compositions

Alloying greatly expands the amount of available materials beyond the naturally existing ones, and more importantly offers the material scientists opportunities to initiatively control the composition-structure-property relationship in materials. Since commonly used metallic materials are mostly multi-component alloys, the know-how of alloying through compositional control, certainly plays a critical role in designing materials with desired structure and properties. However, alloying in multi-component alloys is an extremely complicated issue, as the alloyed products could be the amorphous phase, various solid solutions and intermetallic compounds containing two or more alloy components. By narrowing down the scope of the multi-component alloys to those with equiatomic or close-to-equiatomic compositions only, and also aiming at framing out the rules that govern the phase selection upon alloying in multi-component alloys in a broad sense, we have identified here a simple and easily executable two-parameter scheme that can effectively predict the formation of the amorphous phase, solid solutions and intermetallic compounds, in multi-component alloys, simply from the given alloy compositions. We believe this scheme reveals a clear physical scenario governing the phase selection in multi-component alloys, helps to simplify the alloy design, and benefits the future development of advanced metallic alloys like bulk metallic glasses and high entropy alloys.

Atomic-scale simulations in multi-component alloys and compounds:A review on advances in interatomic potential

Multi-component alloys have demonstrated excellent performance in various applications,but the vast range of possible compositions and microstructures makes it challenging to identify optimized alloys for specific purposes.To overcome this challenge,large-scale atomic simulation techniques have been widely used for the design and optimization of multi-component alloys.The capability and reliability of large-scale atomic simulations essentially rely on the quality of interatomic potentials that describe the interactions between atoms.This work provides a comprehensive summary of the latest advances in atomic simulation techniques for multi-component alloys.The focus is on interatomic potentials,including both conventional empirical potentials and newly developed machine learning potentials(MLPs).The fitting processes for different types of interatomic potentials applied to multi-component alloys are also discussed.Finally,the challenges and future perspectives in developing MLPs are thoroughly addressed.Overall,this review provides a valuable resource for researchers interested in developing optimized multicomponent alloys using atomic simulation techniques.

Research on shell-side heat and mass transfer with multi-component in LNG spiral-wound heat exchanger under sloshing conditions

The spiral-wound heat exchanger(SWHE) is the primary low-temperature heat exchanger for large-scale LNG plants due to its high-pressure resistance, compact structure, and high heat exchange efficiency. This paper studied the shell-side heat and mass transfer characteristics of vapor-liquid two-phase mixed refrigerants in an SWHE by combining a multi-component model in FLUENT software with a customized multicomponent mass transfer model. Besides, the mathematical model under the sloshing condition was obtained through mathematical derivation, and the corresponding UDF code was loaded into FLUENT as the momentum source term. The results under the sloshing conditions were compared with the relevant parameters under the steady-state condition. The shell-side heat and mass transfer characteristics of the SWHE were investigated by adjusting the component ratio and other working conditions. It was found that the sloshing conditions enhance the heat transfer performance and sometimes have insignificant effects. The sloshing condition is beneficial to reduce the flow resistance. The comprehensive performance of multi-component refrigerants has been improved and the improvement is more significant under sloshing conditions, considering both the heat transfer and pressure drop.These results will provide theoretical support for the research and design of multi-component heat and mass transfer enhancement of LNG SWHE under ocean sloshing conditions.

Effect of Melt Superheating Treatment on Directional Solidification Interface Morphology of Multi-component Alloy

The influence of melt superheating treatment on the solid/liquid （S/L） interface morphology of directionally solidified Ni-based superalloy DZ125 is investigated to elucidate the relationship between melt characteristic and S/L interface stability. The results indicate that the interface morphology is not only related to the withdrawal velocity （R） but also to the melt superheating temperature （Ts） when the thermal gradient of solidification interface remains constant for different Ts with appropriate superheating treatment regulation. The interface morphology changes from cell to plane at R of 1.1 μm/s when Ts increases from 1500°C to 1650°C, and maintains plane with further elevated Ts of 1750°C. However, the interface morphology changes from coarse dendrite to cell and then to cellular dendrite at R of 2.25 μm/s when Ts increases from 1500°C to 1650°C and then to 1750°C. It is proved that the solidification onset temperature and the solidification interval undergo the nonlinear variation when Ts increases from 1500°C to 1680°C, and the turning point is 1650°C at which the solidification onset temperature and the solidification interval are all minimum. This indicates that the melt superheating treatment enhances the solidification interface stability and has important effect on the solidification characteristics.

A Solute Pinning Approach to Solute Drag in Multi-Component Solid Solution Alloys

The Cahn, Lücke and Stüwe theory remains the backbone of more complex analysis dealing with solute drag, however, the mathematical treatment is rather involved. A new approach based on solute pinning the boundary has therefore recently been suggested, which has the main advantage of a simpler mathematical treatment. In the present paper this approach has been generalized to take into account the influence of different types of solute atoms in the high solute content/low driving force regime.

Effects of V addition on the mechanical properties at elevated temperatures in a γ”-strengthened NiCoCr-based multi-component alloy

Ni Co Cr-based multi-component alloys have drawn much attention due to their exceptional ductility and strain hardening capacity.However,insufficient strength-ductility synergy of NiCoCr alloy has always been an issue that prevents it from extensive applications.According to our previous research,the precipitation ofγ”phase can significantly improve the strength-ductility synergy of this alloy system at room temperature.In this study,the effects of V addition onγ”phase stability and high-temperature mechanical properties have been explicitly investigated.The results indicate that V addition can stabilize the metastableγ”phase in this alloy system and prevent it from transforming into a stableδphase at grain boundaries upon 650℃aging,resulting in improved mechanical properties at elevated temperatures.The specific strength ofγ”-strengthened multi-component NiCoCr-based alloy can reach up to 86.2 MPa gcmat 650℃,which is higher than those of Ni-based superalloys,IN 939 and Waspaloy.This work provides theoretical guidance for the novel design of γ”-strengthened alloy for high-temperature applications.

Effects of hydrogen charging and deformation on tensile properties of a multi-component alloy for nuclear applications

In this study,the influence of hydrogen charging and deformation on the tensile behavior of a 60Fe-12Cr-10Mn-15Cu-3Mo multi-component alloy was investigated using electron microscopy and positron annihilation lifetime spectroscopy.The results show that hydrogen-induced vacancy clusters found in the electrochemically charged hydrogen specimens are responsible for crack initiation.Upon ingress to the microstructure,hydrogen promotes the formation of cell-structured dislocations that are beneficial for the improvement of tensile strength.In addition,hydrogen embrittlement can be mitigated by dislocations that can hinder hydrogen mobility in the deformed specimens.

Phase field modeling for dendritic morphology transition and micro-segregation in multi-component alloys

By using the phase field model for the solidification of multi-component alloys and coupling with real thermodynamic data, the dendritic morphology transition and the dendritic micro-segregation of Ni-Al-Nb ternary alloys are simulated in two cases, i.e., varying the alloy composition at a fixed under-cooling and varying the undercooling at a fixed alloy composition. The simulated results indicate that with the increase of the dimensionless undercooling U (U=ΔT/ΔT0, where ΔT is the undercooling and ΔT0 the temperature interval between the solidus and liquidus), the dendritic morphology transfers from dendritic to globular growth in both cases. As to the dendritic micro-segregation, both cases present a regularity of increasing at first and then decreasing.

LOW TEMPERATURE THERMAL DEBINDING BEHAVIOR OF WAX-BASED MULTI-COMPONENT BINDER FOR TUNGSTEN HEAVY ALLOY

１ＩＮＴＲＯＤＵＣＴＩＯＮＰｏｗｄｅｒｉｎｊｅｃｔｉｏｎｍｏｕｌｄｉｎｇ（ＰＩＭ）ｉｓａｎｅｗｐｒｏｃｅｓｓｆｏｒｍａｎｕｆａｃｔｕｒｉｎｇｎｅａｒｎｅｔｓｈａｐｅｐａｒｔｓｗｉｔｈａｄｖａｎｔａｇｅｓｏｆｌｏｗｃｏｓｔ，ｈｉｇｈｐｅｒｆｏｒｍａｎｃ...

Relationship between the unique microstructures and behaviors of high-entropy alloys

High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness.By contrast,elemental composi-tions within alloy systems occupy specific structural sites in space,a concept referred to as structure.In accordance with Shannon entropy,structure is analogous to information.Generally,the arrangement of atoms within a material,termed its structure,plays a pivotal role in dictating its properties.In addition to expanding the array of options for alloy composites,HEAs afford ample opportunities for diverse structural designs.The profound influence of distinct structural features on the exceptional behaviors of alloys is underscored by numer-ous examples.These features include remarkably high fracture strength with excellent ductility,antiballistic capability,exceptional radi-ation resistance,and corrosion resistance.In this paper,we delve into various unique material structures and properties while elucidating the intricate relationship between structure and performance.

2D Q-compensated multi-component elastic Gaussian beam migration

Elastic waves are affected by viscoelasticity during the propagation through the Earth,resulting in energy attenuation and phase distortion,in turn resulting in low seismic imaging accuracy.Therefore,viscoelasticity should be considered in seismic migration imaging.We propose a Q compensated multicomponent elastic Gaussian beam migration(Q-EGBM)method to(1)separate the elastic-wave data into longitudinal(P)and transverse(S)waves to perform PP-wave and PS-wave imaging;(2)recover the amplitude loss caused by attenuation;(3)correct phase distortions caused by dispersion;(4)improve the resolution of migration imaging.In this paper,to accomplish(2),(3),and(4),we derive complex-valued traveltimes in viscoelastic media.The results of numerical experiments using a simple five-layer model and a sophisticated BP gas model show that the method presented here has significant advantages in recovering energy decay and correcting phase distortion,as well as significantly improving imaging resolution.

Microstructure and damping properties of LPSO phase dominant Mg-Ni-Y and Mg-Zn-Ni-Y alloys

This work studied the microstructure,mechanical properties and damping properties of Mg_(95.34)Ni_(2)Y_(2.66) and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys systematically.The difference in the evolution of the long-period stacked ordered(LPSO)phase in the two alloys during heat treatment was the focus.The morphology of the as-cast Mg_(95.34)Ni_(2)Y_(2.66)presented a disordered network.After heat treatment at 773 K for 2 hours,the eutectic phase was integrated into the matrix,and the LPSO phase maintained the 18R structure.As Zn partially replaced Ni,the crystal grains became rounded in the cast alloy,and lamellar LPSO phases and more solid solution atoms were contained in the matrix after heat treatment of the Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloy.Both Zn and the heat treatment had a significant effect on damping.Obvious dislocation internal friction peaks and grain boundary internal friction peaks were found after temperature-dependent damping of the Mg_(95.34)Ni_(2)Y_(2.66)and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys.After heat treatment,the dislocation peak was significantly increased,especially in the alloy Mg_(95.34)Ni_(2)Y_(2).66.The annealed Mg_(95.34)Ni_(2)Y_(2.66)alloy with a rod-shaped LPSO phase exhibited a good damping performance of 0.14 atε=10^(−3),which was due to the difference between the second phase and solid solution atom content.These factors also affected the dynamic modulus of the alloy.The results of this study will help in further development of high-damping magnesium alloys.

High corrosion and wear resistant electroless Ni–P gradient coatings on aviation aluminum alloy parts

A Ni–P alloy gradient coating consisting of multiple electroless Ni–P layers with various phosphorus contents was prepared on the aviation aluminum alloy. Several characterization and electrochemical techniques were used to characterize the different Ni–P coatings’ morphologies, phase structures, elemental compositions, and corrosion protection. The gradient coating showed good adhesion and high corrosion and wear resistance, enabling the application of aluminum alloy in harsh environments. The results showed that the double zinc immersion was vital in obtaining excellent adhesion (81.2 N). The optimal coating was not peeled and shredded even after bending tests with angles higher than 90°and was not corroded visually after 500 h of neutral salt spray test at 35℃. The high corrosion resistance was attributed to the misaligning of these micro defects in the three different nickel alloy layers and the amorphous structure of the high P content in the outer layer. These findings guide the exploration of functional gradient coatings that meet the high application requirement of aluminum alloy parts in complicated and harsh aviation environments.

Influence of heat treatment on microstructure,mechanical and corrosion behavior of WE43 alloy fabricated by laser-beam powder bed fusion

Magnesium(Mg)alloys are considered to be a new generation of revolutionary medical metals.Laser-beam powder bed fusion(PBF-LB)is suitable for fabricating metal implants withpersonalized and complicated structures.However,the as-built part usually exhibits undesirable microstructure and unsatisfactory performance.In this work,WE43 parts were firstly fabricated by PBF-LB and then subjected to heat treatment.Although a high densification rate of 99.91%was achieved using suitable processes,the as-built parts exhibited anisotropic and layeredmicrostructure with heterogeneously precipitated Nd-rich intermetallic.After heat treatment,fine and nano-scaled Mg24Y5particles were precipitated.Meanwhile,theα-Mg grainsunderwent recrystallization and turned coarsened slightly,which effectively weakened thetexture intensity and reduced the anisotropy.As a consequence,the yield strength and ultimate tensile strength were significantly improved to(250.2±3.5)MPa and(312±3.7)MPa,respectively,while the elongation was still maintained at a high level of 15.2%.Furthermore,the homogenized microstructure reduced the tendency of localized corrosion and favoredthe development of uniform passivation film.Thus,the degradation rate of WE43 parts was decreased by an order of magnitude.Besides,in-vitro cell experiments proved their favorable biocompatibility.

An ionic liquid-assisted strategy for enhanced anticorrosion of low-energy PEO coatings on magnesium–lithium alloy

A low-energy plasma electrolytic oxidation(LePEO)technique is developed to simultaneously improve energy efficiency and anti-corrosion.Ionic liquids(1-butyl-3-methylimidazole tetrafluoroborate(BmimBF_(4)))as sustainable corrosion inhibitors are chosen to investigate the corrosion inhibition behavior of ionic liquid(ILs)during the LePEO process for LA91 magnesium-lithium(Mg-Li)alloy.Results show that the ionic liquid BmimBF_(4)participates in the LePEO coating formation process,causing an increment in coating thickness and surface roughness.The low conductivity of the ionic liquid is responsible for the voltage and breakdown voltage increases during the LePEO with IL process(LePEO-IL).After adding BmimBF_(4),corrosion current density decreases from 1.159×10^(−4)A·cm^(−2)to 8.143×10^(−6)A·cm^(−2).The impedance modulus increases to 1.048×10^(4)Ω·cm^(−2)and neutral salt spray remains intact for 24 h.The superior corrosion resistance of the LePEO coating assisted by ionic liquid could be mainly attributed to its compact and thick barrier layer and physical absorption of ionic liquid.The ionic liquid-assisted LePEO technique provides a promising approach to reducing energy consumption and improving film performance.

CONSTITUTION OF Al-BASE MULTI-COMPONENT QUASI-CRYSTALLINE ALLOYS

ＣＯＮＳＴＩＴＵＴＩＯＮＯＦＡｌ－ＢＡＳＥＭＵＬＴＩ－ＣＯＭＰＯＮＥＮＴＱＵＡＳＩ－ＣＲＹＳＴＡＬＬＩＮＥＡＬＬＯＹＳＣｈｅｎＺｈｅｎｈｕａ；ＪｉａｎｇＸｉａｎｇｙａｎｇ；ＺｈｏｕＤｕｏｓａｎ；ＷａｎｇＹｕｎ；ＨｕａｎｇＰｅｉｙｕｎ（Ｒｅｓｅａｒｃｈ...

Machine learning-assisted efficient design of Cu-based shape memory alloy with specific phase transition temperature

The martensitic transformation temperature is the basis for the application of shape memory alloys(SMAs),and the ability to quickly and accurately predict the transformation temperature of SMAs has very important practical significance.In this work,machine learning(ML)methods were utilized to accelerate the search for shape memory alloys with targeted properties(phase transition temperature).A group of component data was selected to design shape memory alloys using reverse design method from numerous unexplored data.Component modeling and feature modeling were used to predict the phase transition temperature of the shape memory alloys.The experimental results of the shape memory alloys were obtained to verify the effectiveness of the support vector regression(SVR)model.The results show that the machine learning model can obtain target materials more efficiently and pertinently,and realize the accurate and rapid design of shape memory alloys with specific target phase transition temperature.On this basis,the relationship between phase transition temperature and material descriptors is analyzed,and it is proved that the key factors affecting the phase transition temperature of shape memory alloys are based on the strength of the bond energy between atoms.This work provides new ideas for the controllable design and performance optimization of Cu-based shape memory alloys.

Microstructures,corrosion behavior and mechanical properties of as-cast Mg-6Zn-2X(Fe/Cu/Ni)alloys for plugging tool applications

Mg-6Zn-2X(Fe/Cu/Ni)alloys were prepared through semi-continuous casting,with the aim of identifying a degradable magnesium(Mg)alloy suitable for use in fracturing balls.A comparative analysis was conducted to assess the impacts of adding Cu and Ni,which result in finer grains and the formation of galvanic corrosion sites.Scanner electronic microscopy examination revealed that precipitated phases concentrated at grain boundaries,forming a semi-continuous network structure that facilitated corrosion penetration in Mg-6Zn-2Cu and Mg-6Zn-2Ni alloys.Pitting corrosion was observed in Mg-6Zn-2Fe,while galvanic corrosion was identified as the primary mechanism in Mg-6Zn-2Cu and Mg-6Zn-2Ni alloys.Among the tests,the Mg-6Zn-2Ni alloy exhibited the highest corrosion rate(approximately 932.9 mm/a)due to its significant potential difference.Mechanical testing showed that Mg-6Zn-2Ni alloy possessed suitable ultimate compressive strength,making it a potential candidate material for degradable fracturing balls,effectively addressing the challenges of balancing strength and degradation rate in fracturing applications.

Influence of layer thickness on formation quality,microstructure,mechanical properties,and corrosion resistance of WE43 magnesium alloy fabricated by laser powder bed fusion

Laser powder bed fusion(L-PBF)of Mg alloys has provided tremendous opportunities for customized production of aeronautical and medical parts.Layer thickness(LT)is of great significance to the L-PBF process but has not been studied for Mg alloys.In this study,WE43 Mg alloy bulk cubes,porous scaffolds,and thin walls with layer thicknesses of 10,20,30,and 40μm were fabricated.The required laser energy input increased with increasing layer thickness and was different for the bulk cubes and porous scaffolds.Porosity tended to occur at the connection joints in porous scaffolds for LT40 and could be eliminated by reducing the laser energy input.For thin wall parts,a large overhang angle or a small wall thickness resulted in porosity when a large layer thicknesses was used,and the porosity disappeared by reducing the layer thickness or laser energy input.A deeper keyhole penetration was found in all occasions with porosity,explaining the influence of layer thickness,geometrical structure,and laser energy input on the porosity.All the samples achieved a high fusion quality with a relative density of over 99.5%using the optimized laser energy input.The increased layer thickness resulted to more precipitation phases,finer grain sizes and decreased grain texture.With the similar high fusion quality,the tensile strength and elongation of bulk samples were significantly improved from 257 MPa and 1.41%with the 10μm layer to 287 MPa and 15.12%with the 40μm layer,in accordance with the microstructural change.The effect of layer thickness on the compressive properties of porous scaffolds was limited.However,the corrosion rate of bulk samples accelerated with increasing the layer thickness,mainly attributed to the increased number of precipitation phases.

Analysis on the formation principle and present situation of nano phase state of multi-component self-assembly of traditional Chinese compound medicine decoction

Traditional Chinese medicine decoction is a complex polydispersed phase system containing real solution,colloid solution,emulsion and suspension.The compound decoction of traditional Chinese medicine has complex components,including saponins,alkaloids,polysaccharides,flavonoids,amino acids and so on,which can be self-assembled to form gels,fibers,micelles,vesicles and so on.The self-assembled nano-phase not only neutralizes the single drug and reduces the toxicity and side effects,but also has its own pharmacological effects,which complement each other to achieve synergistic effect,so as to achieve the role of drug supplement,which is of research significance.The formation principle,solubilization and synergism principle and characterization method of multi-component self-assembly of traditional Chinese medicine compound decoction are discussed in this paper.